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Chemical ID: 7729419

c1ccc(cc1)N2CCN(CC2)C(=O)Cn3cnc4c(c3=O)nnn4c5ccc(cc5)Cl

Chemical ID:

7729419

Name [?]:

None

SMILES [?]:

c1ccc(cc1)N2CCN(CC2)C(=O)Cn3cnc4c(c3=O)nnn4c5ccc(cc5)Cl

InChi [?]:

InChI=1/C22H20ClN7O2/c23-16-6-8-18(9-7-16)30-21-20(25-26-30)22(32)29(15-24-21)14-19(31)28-12-10-27(11-13-28)17-4-2-1-3-5-17/h1-9,15H,10-14H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,5,28,30,27,31,8,12,9,11,15,17,29,4,26,13,20,19,21,32,18,23,24,7,10,16,25,14,22/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:32nCCCCCCNCCNCCCOCNCNCCCONNNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s16;d17;s18;d19;s16s20;d21;s20;d23;s19s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₀ClN₇O₂
All Atoms:	52
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	12.1229
Area:	667.231
Solvation:	-4.55782
Coulombic:	-51.0398

Bond Count [?]

All:	36
Single:	25
Double:	11
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.21
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value